
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  132 ( 1072),  selected  123 , name one
# Molecule2: number of CA atoms  123 (  980),  selected  123 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   119      14_A - 132_A       4.29     8.09
  LCS_AVERAGE:     94.10

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   116      17_A - 132_A       1.99     8.45
  LCS_AVERAGE:     89.31

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   107      21_A - 127_A       1.00     8.69
  LCS_AVERAGE:     78.99

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  123
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     H    10_A     H    10_A      3    4   19      3    3    3    4    4    4    6    7    7    8    8   10   11   11   12   14   20   27   31   32 
LCS_GDT     S    11_A     S    11_A      3    8   19      3    3    3    4    7    9   11   13   13   14   16   19   21   22   26   28   30   31   33   34 
LCS_GDT     S    12_A     S    12_A      3    8   19      3    3    4    6    7    9   11   13   13   14   16   19   21   23   26   29   30   32   33   34 
LCS_GDT     G    13_A     G    13_A      5    9   19      3    5    5    6    8   10   11   13   13   14   16   19   19   20   24   25   29   30   32   34 
LCS_GDT     L    14_A     L    14_A      5    9  119      4    5    5    6    8   10   11   13   13   14   16   19   21   23   26   29   30   33   37   41 
LCS_GDT     V    15_A     V    15_A      5    9  119      4    5    5    6    8   10   11   13   13   15   18   21   24   26   29   31   35   46   51   55 
LCS_GDT     P    16_A     P    16_A      5    9  119      4    5    5    7    8   10   11   15   18   24   30   36   44   53   60   74   79   83   92  105 
LCS_GDT     R    17_A     R    17_A      5  116  119      4    5    5    7   14   21   36   45   55   68   80  101  112  115  116  116  116  116  116  116 
LCS_GDT     G    18_A     G    18_A      4  116  119      3    4   11   22   37   51   69   89  106  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     S    19_A     S    19_A     29  116  119      5   16   40   78  103  111  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     H    20_A     H    20_A     29  116  119      3   11   28   74  107  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     M    21_A     M    21_A    107  116  119      3   77   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     Q    22_A     Q    22_A    107  116  119     51   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     E    23_A     E    23_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     E    24_A     E    24_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     E    25_A     E    25_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     F    26_A     F    26_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     H    27_A     H    27_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     K    28_A     K    28_A    107  116  119     30   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     L    29_A     L    29_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     A    30_A     A    30_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     N    31_A     N    31_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     F    32_A     F    32_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     T    33_A     T    33_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     I    34_A     I    34_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     N    35_A     N    35_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     H    36_A     H    36_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     L    37_A     L    37_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     L    38_A     L    38_A    107  116  119     49   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     E    39_A     E    39_A    107  116  119     50   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     K    40_A     K    40_A    107  116  119     14   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     I    41_A     I    41_A    107  116  119     11   78   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     E    42_A     E    42_A    107  116  119     22   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     D    43_A     D    43_A    107  116  119      6   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     Y    44_A     Y    44_A    107  116  119     11   76   96  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     G    45_A     G    45_A    107  116  119      4   17   93  105  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     D    46_A     D    46_A    107  116  119      3   56   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     N    47_A     N    47_A    107  116  119     17   78   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     V    48_A     V    48_A    107  116  119     21   79   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     Q    49_A     Q    49_A    107  116  119      3    4    6   32  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     I    50_A     I    50_A    107  116  119      4   79   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     D    51_A     D    51_A    107  116  119      6   13   23   89  105  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     G    52_A     G    52_A    107  116  119      3   68   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     F    53_A     F    53_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     D    54_A     D    54_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     I    55_A     I    55_A    107  116  119     37   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     D    56_A     D    56_A    107  116  119     32   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     Y    57_A     Y    57_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     G    58_A     G    58_A    107  116  119     17   68   96  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     N    59_A     N    59_A    107  116  119      7   44   92  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     E    60_A     E    60_A    107  116  119      7   56   96  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     V    61_A     V    61_A    107  116  119     35   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     L    62_A     L    62_A    107  116  119     51   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     T    63_A     T    63_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     L    64_A     L    64_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     K    65_A     K    65_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     L    66_A     L    66_A    107  116  119     12   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     G    67_A     G    67_A    107  116  119     20   78   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     S    68_A     S    68_A    107  116  119     20   48   95  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     L    69_A     L    69_A    107  116  119     12   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     G    70_A     G    70_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     T    71_A     T    71_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     Y    72_A     Y    72_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     V    73_A     V    73_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     L    74_A     L    74_A    107  116  119     29   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     N    75_A     N    75_A    107  116  119     35   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     K    76_A     K    76_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     Q    77_A     Q    77_A    107  116  119     51   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     T    78_A     T    78_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     P    79_A     P    79_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     N    80_A     N    80_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     R    81_A     R    81_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     Q    82_A     Q    82_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     I    83_A     I    83_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     W    84_A     W    84_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     M    85_A     M    85_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     S    86_A     S    86_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     S    87_A     S    87_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     P    88_A     P    88_A    107  116  119     51   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     V    89_A     V    89_A    107  116  119      7   78   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     S    90_A     S    90_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     G    91_A     G    91_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     P    92_A     P    92_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     S    93_A     S    93_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     R    94_A     R    94_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     F    95_A     F    95_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     D    96_A     D    96_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     W    97_A     W    97_A    107  116  119     49   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     D    98_A     D    98_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     R    99_A     R    99_A    107  116  119      9   76   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     D   100_A     D   100_A    107  116  119      4    5   45  102  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     A   101_A     A   101_A    107  116  119      4   52   92  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     N   102_A     N   102_A    107  116  119      7   61   96  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     A   103_A     A   103_A    107  116  119     22   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     W   104_A     W   104_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     I   105_A     I   105_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     Y   106_A     Y   106_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     R   107_A     R   107_A    107  116  119     11   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     R   108_A     R   108_A    107  116  119     23   76   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     T   109_A     T   109_A    107  116  119     23   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     E   110_A     E   110_A    107  116  119     32   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     A   111_A     A   111_A    107  116  119     51   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     K   112_A     K   112_A    107  116  119     40   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     L   113_A     L   113_A    107  116  119     32   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     H   114_A     H   114_A    107  116  119     51   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     K   115_A     K   115_A    107  116  119     12   78   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     L   116_A     L   116_A    107  116  119     32   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     L   117_A     L   117_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     E   118_A     E   118_A    107  116  119     51   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     E   119_A     E   119_A    107  116  119     51   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     E   120_A     E   120_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     L   121_A     L   121_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     E   122_A     E   122_A    107  116  119     51   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     N   123_A     N   123_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     L   124_A     L   124_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     C   125_A     C   125_A    107  116  119     52   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     G   126_A     G   126_A    107  116  119     51   80   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     E   127_A     E   127_A    107  116  119     16   79   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     P   128_A     P   128_A     81  116  119      5   56   94  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     I   129_A     I   129_A     81  116  119      4   56   94  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     Q   130_A     Q   130_A     81  116  119      4   20   73  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     L   131_A     L   131_A     81  116  119      6   56   96  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_GDT     S   132_A     S   132_A     81  116  119     22   72   97  106  109  112  114  114  114  114  115  115  115  115  116  116  116  116  116  116 
LCS_AVERAGE  LCS_A:  87.47  (  78.99   89.31   94.10 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     52     80     97    106    109    112    114    114    114    114    115    115    115    115    116    116    116    116    116    116 
GDT PERCENT_AT  42.28  65.04  78.86  86.18  88.62  91.06  92.68  92.68  92.68  92.68  93.50  93.50  93.50  93.50  94.31  94.31  94.31  94.31  94.31  94.31
GDT RMS_LOCAL    0.34   0.53   0.72   0.88   0.94   1.06   1.20   1.20   1.20   1.20   1.53   1.53   1.53   1.53   1.99   1.99   1.99   1.99   1.99   1.99
GDT RMS_ALL_AT   8.75   8.73   8.71   8.70   8.69   8.69   8.63   8.63   8.63   8.63   8.55   8.55   8.55   8.55   8.45   8.45   8.45   8.45   8.45   8.45

# Checking swapping
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  E    25_A      E    25_A
#   possible swapping detected:  D    43_A      D    43_A
#   possible swapping detected:  D    46_A      D    46_A
#   possible swapping detected:  Y    57_A      Y    57_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  D    96_A      D    96_A
#   possible swapping detected:  E   110_A      E   110_A
#   possible swapping detected:  E   118_A      E   118_A
#   possible swapping detected:  E   127_A      E   127_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    10_A      H    10_A    40.825     0    0.634   1.204    43.818    0.000    0.000
LGA    S    11_A      S    11_A    44.998     0    0.018   0.033    46.920    0.000    0.000
LGA    S    12_A      S    12_A    41.092     0    0.659   0.581    42.075    0.000    0.000
LGA    G    13_A      G    13_A    35.979     0    0.528   0.528    37.766    0.000    0.000
LGA    L    14_A      L    14_A    29.719     3    0.075   0.078    32.343    0.000    0.000
LGA    V    15_A      V    15_A    25.961     0    0.026   0.086    28.510    0.000    0.000
LGA    P    16_A      P    16_A    21.282     0    0.034   0.285    25.467    0.000    0.000
LGA    R    17_A      R    17_A    14.391     6    0.117   0.182    16.779    0.000    0.000
LGA    G    18_A      G    18_A    10.493     0    0.082   0.082    11.603    2.381    2.381
LGA    S    19_A      S    19_A     4.697     0    0.546   0.579     6.897   28.333   32.460
LGA    H    20_A      H    20_A     3.687     5    0.227   0.304     4.055   50.238   23.810
LGA    M    21_A      M    21_A     1.137     0    0.062   0.874     2.841   81.548   77.381
LGA    Q    22_A      Q    22_A     0.616     0    0.114   0.575     2.586   90.476   80.952
LGA    E    23_A      E    23_A     0.428     0    0.052   0.119     0.652   97.619   96.825
LGA    E    24_A      E    24_A     0.567     4    0.025   0.026     0.686   92.857   51.323
LGA    E    25_A      E    25_A     0.440     0    0.071   1.007     4.572   97.619   81.799
LGA    F    26_A      F    26_A     0.314     0    0.044   0.177     0.726   97.619   97.403
LGA    H    27_A      H    27_A     0.893     0    0.075   0.203     1.243   88.214   87.762
LGA    K    28_A      K    28_A     1.008     0    0.040   0.821     3.857   88.214   75.767
LGA    L    29_A      L    29_A     0.606     0    0.013   0.083     1.120   95.238   91.726
LGA    A    30_A      A    30_A     0.445     0    0.019   0.019     0.463  100.000  100.000
LGA    N    31_A      N    31_A     0.434     0    0.052   0.885     2.560  100.000   89.940
LGA    F    32_A      F    32_A     0.372     0    0.030   0.280     0.806  100.000   95.671
LGA    T    33_A      T    33_A     0.438     0    0.017   0.048     0.658  100.000   95.918
LGA    I    34_A      I    34_A     0.417     0    0.025   1.004     2.196  100.000   86.786
LGA    N    35_A      N    35_A     0.379     0    0.036   0.906     3.902  100.000   84.107
LGA    H    36_A      H    36_A     0.397     0    0.021   0.116     0.782  100.000   96.190
LGA    L    37_A      L    37_A     0.549     0    0.021   0.128     0.847   92.857   92.857
LGA    L    38_A      L    38_A     0.646     0    0.070   0.130     0.733   90.476   90.476
LGA    E    39_A      E    39_A     0.617     0    0.074   0.623     2.217   90.476   87.619
LGA    K    40_A      K    40_A     0.992     0    0.023   0.718     4.574   85.952   69.894
LGA    I    41_A      I    41_A     1.275     0    0.115   0.150     2.013   83.690   78.333
LGA    E    42_A      E    42_A     1.217     0    0.043   0.726     3.442   81.429   73.280
LGA    D    43_A      D    43_A     1.077     0    0.071   0.141     1.534   83.690   82.619
LGA    Y    44_A      Y    44_A     1.681     0    0.095   1.276     6.984   75.000   56.825
LGA    G    45_A      G    45_A     2.112     0    0.073   0.073     2.112   70.833   70.833
LGA    D    46_A      D    46_A     1.539     0    0.168   0.254     2.634   79.405   73.155
LGA    N    47_A      N    47_A     1.397     0    0.542   0.502     3.251   71.429   70.179
LGA    V    48_A      V    48_A     1.098     0    0.391   0.461     3.898   69.762   64.558
LGA    Q    49_A      Q    49_A     2.768     0    0.301   0.753    10.483   73.214   38.254
LGA    I    50_A      I    50_A     1.060     0    0.090   0.128     3.898   83.690   66.190
LGA    D    51_A      D    51_A     3.355     0    0.616   0.509     5.984   44.881   43.393
LGA    G    52_A      G    52_A     1.606     0    0.005   0.005     1.635   77.143   77.143
LGA    F    53_A      F    53_A     0.168     0    0.014   0.258     1.074   97.619   93.983
LGA    D    54_A      D    54_A     0.337     0    0.145   0.384     1.186   97.619   92.917
LGA    I    55_A      I    55_A     0.723     0    0.118   0.241     1.450   90.476   85.952
LGA    D    56_A      D    56_A     1.125     0    0.094   0.825     4.126   92.976   73.631
LGA    Y    57_A      Y    57_A     0.404     0    0.034   0.148     3.458   95.238   77.341
LGA    G    58_A      G    58_A     1.766     0    0.125   0.125     1.857   75.000   75.000
LGA    N    59_A      N    59_A     2.176     0    0.030   1.009     4.144   68.810   64.345
LGA    E    60_A      E    60_A     1.652     0    0.064   0.993     3.117   77.143   68.677
LGA    V    61_A      V    61_A     0.794     0    0.048   1.111     2.510   88.214   80.748
LGA    L    62_A      L    62_A     0.523     0    0.047   0.105     0.651   92.857   91.667
LGA    T    63_A      T    63_A     0.277     0    0.045   0.116     0.887  100.000   97.279
LGA    L    64_A      L    64_A     0.157     0    0.034   0.101     0.787  100.000   96.429
LGA    K    65_A      K    65_A     0.218     0    0.027   1.055     2.933  100.000   82.698
LGA    L    66_A      L    66_A     0.962     0    0.291   0.259     2.755   77.738   81.964
LGA    G    67_A      G    67_A     1.385     0    0.356   0.356     4.119   66.190   66.190
LGA    S    68_A      S    68_A     1.804     0    0.217   0.551     2.053   79.286   78.730
LGA    L    69_A      L    69_A     1.024     0    0.139   0.161     1.498   83.690   82.560
LGA    G    70_A      G    70_A     0.418     0    0.079   0.079     0.538   97.619   97.619
LGA    T    71_A      T    71_A     0.471     0    0.013   0.048     0.535   95.238   97.279
LGA    Y    72_A      Y    72_A     0.410     0    0.031   0.103     0.643   97.619   97.619
LGA    V    73_A      V    73_A     0.378     0    0.030   0.051     0.632  100.000   98.639
LGA    L    74_A      L    74_A     0.799     0    0.052   0.832     2.116   88.214   82.917
LGA    N    75_A      N    75_A     0.724     0    0.046   1.119     2.887   90.476   84.107
LGA    K    76_A      K    76_A     0.283     0    0.031   0.712     1.552   92.976   89.630
LGA    Q    77_A      Q    77_A     0.438     0    0.038   0.568     1.634  100.000   92.804
LGA    T    78_A      T    78_A     0.274     0    0.042   0.064     0.412  100.000  100.000
LGA    P    79_A      P    79_A     0.337     0    0.018   0.046     0.375  100.000  100.000
LGA    N    80_A      N    80_A     0.270     0    0.029   0.673     2.184  100.000   93.214
LGA    R    81_A      R    81_A     0.241     0    0.042   0.750     1.757  100.000   88.442
LGA    Q    82_A      Q    82_A     0.261     0    0.013   0.076     0.846  100.000   95.767
LGA    I    83_A      I    83_A     0.254     0    0.044   0.073     0.254  100.000  100.000
LGA    W    84_A      W    84_A     0.301     0    0.031   0.074     0.988   97.619   95.238
LGA    M    85_A      M    85_A     0.336     0    0.015   0.208     1.675  100.000   90.774
LGA    S    86_A      S    86_A     0.304     0    0.044   0.059     0.588  100.000   96.825
LGA    S    87_A      S    87_A     0.399     0    0.027   0.042     0.801  100.000   96.825
LGA    P    88_A      P    88_A     0.492     0    0.023   0.040     1.091   92.976   95.986
LGA    V    89_A      V    89_A     1.094     0    0.074   1.169     3.502   88.214   78.639
LGA    S    90_A      S    90_A     0.553     0    0.064   0.099     0.668   92.857   93.651
LGA    G    91_A      G    91_A     0.320     0    0.032   0.032     0.406  100.000  100.000
LGA    P    92_A      P    92_A     0.388     0    0.033   0.059     0.539   97.619   95.918
LGA    S    93_A      S    93_A     0.335     0    0.026   0.671     2.560  100.000   92.857
LGA    R    94_A      R    94_A     0.615     0    0.033   0.140     1.572   90.476   86.407
LGA    F    95_A      F    95_A     0.572     0    0.045   0.095     0.572   92.857   97.403
LGA    D    96_A      D    96_A     0.830     0    0.024   0.100     0.936   90.476   90.476
LGA    W    97_A      W    97_A     0.897     0    0.032   0.125     2.059   88.214   79.116
LGA    D    98_A      D    98_A     0.634     0    0.429   0.680     1.853   86.071   83.810
LGA    R    99_A      R    99_A     1.649     0    0.438   1.132     8.723   67.262   45.368
LGA    D   100_A      D   100_A     3.150     0    0.061   0.295     4.697   55.476   46.369
LGA    A   101_A      A   101_A     2.069     0    0.030   0.027     2.274   68.810   69.619
LGA    N   102_A      N   102_A     1.923     0    0.039   1.106     5.130   70.833   64.107
LGA    A   103_A      A   103_A     1.163     0    0.039   0.046     1.405   83.690   83.238
LGA    W   104_A      W   104_A     0.641     0    0.046   0.085     0.772   90.476   95.918
LGA    I   105_A      I   105_A     0.370     0    0.012   0.094     0.701  100.000   97.619
LGA    Y   106_A      Y   106_A     0.245     0    0.009   0.203     1.868  100.000   90.000
LGA    R   107_A      R   107_A     0.624     0    0.028   1.089     2.763   90.595   85.152
LGA    R   108_A      R   108_A     1.213     0    0.040   1.061     4.246   83.690   69.697
LGA    T   109_A      T   109_A     1.089     0    0.120   0.150     1.721   85.952   82.789
LGA    E   110_A      E   110_A     0.777     0    0.106   0.181     1.251   90.476   86.455
LGA    A   111_A      A   111_A     0.397     0    0.032   0.040     0.761   97.619   96.190
LGA    K   112_A      K   112_A     0.797     0    0.030   0.120     2.027   90.476   82.646
LGA    L   113_A      L   113_A     0.943     0    0.008   0.027     1.163   90.476   87.083
LGA    H   114_A      H   114_A     0.761     0    0.024   1.417     6.031   90.476   63.619
LGA    K   115_A      K   115_A     1.220     0    0.084   0.195     3.358   83.690   72.487
LGA    L   116_A      L   116_A     0.958     0    0.022   0.725     2.608   88.214   78.750
LGA    L   117_A      L   117_A     0.436     0    0.034   0.123     0.644   97.619   98.810
LGA    E   118_A      E   118_A     0.649     0    0.088   0.879     3.582   90.476   75.820
LGA    E   119_A      E   119_A     0.651     0    0.034   1.172     4.678   92.857   74.974
LGA    E   120_A      E   120_A     0.359     0    0.055   0.144     0.694   97.619   97.884
LGA    L   121_A      L   121_A     0.236     0    0.021   0.070     0.697  100.000   98.810
LGA    E   122_A      E   122_A     0.617     0    0.049   0.232     2.044   95.238   87.725
LGA    N   123_A      N   123_A     0.243     0    0.059   0.125     0.711   97.619   97.619
LGA    L   124_A      L   124_A     0.318     0    0.022   0.100     0.738   97.619   96.429
LGA    C   125_A      C   125_A     0.617     0    0.022   0.080     0.984   95.238   93.651
LGA    G   126_A      G   126_A     0.496     0    0.199   0.199     1.016   92.976   92.976
LGA    E   127_A      E   127_A     1.143     0    0.051   1.033     3.297   77.143   67.989
LGA    P   128_A      P   128_A     1.887     0    0.191   0.339     2.678   70.833   69.456
LGA    I   129_A      I   129_A     1.871     0    0.083   1.156     4.429   68.810   63.095
LGA    Q   130_A      Q   130_A     2.422     0    0.133   0.471     3.992   64.762   56.614
LGA    L   131_A      L   131_A     1.671     0    0.125   0.910     3.003   72.857   71.131
LGA    S   132_A      S   132_A     1.234     0    0.589   0.914     2.279   79.524   78.730

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      123     492    492  100.00     980    980  100.00               123
SUMMARY(RMSD_GDC):     7.836          7.760                  7.367           81.675   76.298

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  123    4.0    114    1.20    84.553    88.018     8.779

LGA_LOCAL      RMSD:   1.199  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   8.632  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   7.836  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.397092 * X  +   0.547451 * Y  +  -0.736624 * Z  + -15.950859
  Y_new =  -0.053668 * X  +   0.815094 * Y  +   0.576838 * Z  + -20.459572
  Z_new =   0.916208 * X  +  -0.189525 * Y  +   0.353048 * Z  +   9.306858 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.134338 -1.158513 -0.492672   [DEG:   -7.6970  -66.3779  -28.2280 ]
ZXZ: -2.235137  1.209970  1.774777   [DEG: -128.0639   69.3262  101.6872 ]
 
# END of job
